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4,10-(Methanoxymethano)-10H-cyclopenta[a]phenanthren-3(4H)-one, 17-(acetyloxy)-1,2,7,8,9,11,12,13,14,15,16,17-dodecahydro-13-methyl-, [4S-(4.alpha.,8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,17.alpha.)]-
SpectraBase Compound ID 6aT2mlQC3SM
InChI InChI=1S/C22H30O4/c1-13(23)26-20-6-5-16-14-3-4-17-15-11-25-12-22(17,10-8-19(15)24)18(14)7-9-21(16,20)2/h4,14-16,18,20H,3,5-12H2,1-2H3/t14?,15-,16?,18?,20?,21?,22-/m1/s1
InChIKey PBEBGTJCJCAFHK-SNSUUCBOSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESd3Xon5Ps4
Name 4,10-(Methanoxymethano)-10H-cyclopenta[a]phenanthren-3(4H)-one, 17-(acetyloxy)-1,2,7,8,9,11,12,13,14,15,16,17-dodecahydro-13-methyl-, [4S-(4.alpha.,8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,17.alpha.)]-
Alternate Name(s) 4H-1,4a-Propanocyclopenta[5,6]naphtho[1,2-c]pyran-14-one, 7-(acetyloxy)-1,2,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-6a-methyl-, [1s-(1.alpha.,4a.alpha.,4b.beta.,6a, 7.alpha.]
CAS Registry Number 56786-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-13(23)26-20-6-5-16-14-3-4-17-15-11-25-12-22(17,10-8-19(15)24)18(14)7-9-21(16,20)2/h4,14-16,18,20H,3,5-12H2,1-2H3/t14?,15-,16?,18?,20?,21?,22-/m1/s1
InChIKey PBEBGTJCJCAFHK-SNSUUCBOSA-N
Molecular Weight 358.478 g/mol
SMILES C1(=O)CC[C@]23C4C(CC=C2[C@]1(COC3)[H])C1C(CC4)(C)C(CC1)OC(=O)C
SPLASH splash10-0a4i-4944000000-d066f44d43153bb7880c
Wiley ID 1486178